Information card for entry 4026457

Structure parameters

• Common name: HETROCYCLIC
• Chemical name: INDOLOQUINOLINE
• Formula: C24 H18 I N O
• Calculated formula: C24 H18 I N O
• SMILES: c12c(c3c(cccc3)n2c2c(c(c1c1ccc(cc1)OC)I)cccc2)C
• Title of publication: Synthesis of 5-Iodopyrrolo[1,2-a]quinolines and Indolo[1,2-a]quinolines via Iodine-Mediated Electrophilic and Regioselective 6-endo-dig Ring Closure
• Authors of publication: Akhilesh Kumar Verma; Satya Prakash Shukla; Jaspal Singh; Vineeta Rustagi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 5670 - 5684
• a: 10.733 ± 0.005 Å
• b: 11.104 ± 0.005 Å
• c: 18.129 ± 0.005 Å
• α: 89.215 ± 0.005°
• β: 81.7 ± 0.005°
• γ: 61.836 ± 0.005°
• Cell volume: 1881.2 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No